(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C17H24N4OS — CID 97390945

IUPAC(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2sccc2C)Cc2nnn(CC3CC3)c21
InChIInChI=1S/C17H24N4OS/c1-12-5-6-23-16(12)10-20-8-14(11-22-2)17-15(9-20)18-19-21(17)7-13-3-4-13/h5-6,13-14H,3-4,7-11H2,1-2H3/t14-/m1/s1
InChIKeyZKWKAJQZBKGHRH-CQSZACIVSA-N
MW332.47 g/mol
LogP2.80
Rot. Bonds6

About (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine

(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 97390945) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID97390945
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCOC[C@H]1CN(Cc2sccc2C)Cc2nnn(CC3CC3)c21
InChIInChI=1S/C17H24N4OS/c1-12-5-6-23-16(12)10-20-8-14(11-22-2)17-15(9-20)18-19-21(17)7-13-3-4-13/h5-6,13-14H,3-4,7-11H2,1-2H3/t14-/m1/s1
InChIKeyZKWKAJQZBKGHRH-CQSZACIVSA-N
XLogP2.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383527
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134070258
1-(cyclopropylmethyl)-5-[(5-ethylfuran-2-yl)methyl]-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155834829
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487027
(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383247
2-[(1R)-cyclopent-2-en-1-yl]-1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 97369064
(4R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383081
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368523
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131653605
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97369042
2-[[2-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 131653814
7-(methoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131660009

Frequently Asked Questions

What is the IUPAC name of (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 97390945) is (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine is COC[C@H]1CN(Cc2sccc2C)Cc2nnn(CC3CC3)c21.
What is the InChIKey of (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is ZKWKAJQZBKGHRH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-5-6-23-16(12)10-20-8-14(11-22-2)17-15(9-20)18-19-21(17)7-13-3-4-13/h5-6,13-14H,3-4,7-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 332.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 97390945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).